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Collaborating to improve the use of free-energy and other quantitative methods in drug discovery.

Bradley SherborneVeerabahu ShanmugasundaramAlan C. ChengClara D. ChristRenee L. DesJarlaisJosé S. DucaRichard A. LewisDeborah A. LoughneyEric S. ManasGeorgia B. McGaugheyCatherine E. PeishoffHerman van Vlijmen
Published in: J. Comput. Aided Mol. Des. (2016)
Keyphrases
  • drug discovery
  • free energy
  • quantitative methods
  • upper bound
  • belief propagation
  • scientific data
  • machine learning
  • multi agent systems
  • early stage
  • network topology
  • approximate inference